Information card for entry 2223727

Structure parameters

• Chemical name: (4-Bromophenyl)(1<i>H</i>-indol-7-yl)methanone
• Formula: C15 H10 Br N O
• Calculated formula: C15 H10 Br N O
• SMILES: [nH]1ccc2c1c(ccc2)C(=O)c1ccc(Br)cc1
• Title of publication: (4-Bromophenyl)(1<i>H</i>-indol-7-yl)methanone
• Authors of publication: Dutkiewicz, Grzegorz; Chidan Kumar, C. S.; Yathirajan, H. S.; Kubicki, Maciej
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2933
• a: 11.3241 ± 0.0004 Å
• b: 7.4651 ± 0.0003 Å
• c: 14.9579 ± 0.0005 Å
• α: 90°
• β: 103.1 ± 0.004°
• γ: 90°
• Cell volume: 1231.57 ± 0.08 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes